2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione

C16H10FNO3 — CID 2815202

IUPAC2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO3/c17-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKeyKJGRSUULHMUPCR-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.30
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2815202) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID2815202
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO3/c17-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKeyKJGRSUULHMUPCR-UHFFFAOYSA-N
XLogP2.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione (CID 2815202) is 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is KJGRSUULHMUPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2.
What are the key properties of 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 283.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2815202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).